Hi.
Im trying to run a ts calculation and i get this in the output.
Can someone please explain me whats the problem?
Thanks in advance.
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sym_geom_project: sym_center_map is inconsistent with requested accuracy 1
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current input line :
31: task mp2 saddle
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There is an error in the input file
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Also my input is something like this
start mp2
memory 6000 mb
#
geometry
C 1.42301 -0.03946 0.00000
Cl -0.77590 -0.08269 -0.00000
H 1.52367 0.54480 0.92357
H 1.52371 0.54475 -0.92360
H 1.87594 -1.05449 0.00004
H -0.27110 1.60746 0.00001
end
#
basis spherical
* library aug-cc-pvdz
end
#
charge -1
#
scf
direct
singlet
maxiter 500
end
#
stepper
ts
maxiter 2000
end
#
task mp2 saddle
task mp2 frequencies